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12408-07-0

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Basic Information
CAS No.: 12408-07-0
Name: Propanenitrile,trichloro-
Molecular Structure:
Molecular Structure of 12408-07-0 (Propanenitrile,trichloro-)
Formula: C3H2 Cl3 N
Molecular Weight: 158.41
Synonyms: Propionitrile,trichloro- (8CI); Trichloropropionitrile
Density: 1.499g/cm3
Boiling Point: 186°Cat760mmHg
Flash Point: 70.2°C
Safety: Poison by ingestion. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and Cl−.
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Chemistry

Empirical Formula of Trichloropropionitrile (CAS NO.12408-07-0): C3H2Cl3N
Molecular Weight: 158.4137 g/mol
Index of Refraction: 1.486
Density: 1.499 g/cm3
Flash Point: 70.2 °C
Enthalpy of Vaporization: 42.22 kJ/mol
Boiling Point: 186 °C at 760 mmHg
Vapour Pressure: 0.678 mmHg at 25 °C
Structure of Trichloropropionitrile (CAS NO.12408-07-0):
                   
IUPAC Name: 2,2,3-Trichloropropanenitrile
Canonical SMILES: C(C(C#N)(Cl)Cl)Cl
InChI: InChI=1S/C3H2Cl3N/c4-1-3(5,6)2-7/h1H2
InChIKey: XMVOGXZDRUZXAP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:250 mg/kg

     HYSAAV    Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 34 (5)(1969),274.

Safety Profile

Poison by ingestion. An experimental teratogen. Experimental reproductive effects. When heated to decomposition Trichloropropionitrile (CAS NO.12408-07-0) emits toxic fumes of NOx and Cl−.

Specification

 Trichloropropionitrile , its cas register number is 12408-07-0. It also can be called Propanenitrile, trichloro- ; Propanenitrile, 2,2,3-trichloro- ; and 2,2,3-Trichloropropionitrile .